4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone
TL;DR: 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone (CAS 567-95-3) is a chemical compound with molecular formula C15H6N4O13 and molecular weight 449.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione
Also Known As: Aloetic acid, EINECS 209-307-6, 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone, 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione, 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitro-anthrachinon
| Molecular Formula | C15H6N4O13 |
|---|---|
| Molecular Weight | 449.99 g/mol |
| LogP | 0.9983 |
| Topological Polar Surface Area | 267.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.99313 |
| Heavy Atoms | 32 |
| Complexity | 1329.8301 |
Chemical Identifiers
| CAS Number | 567-95-3 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1[N+](=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C(=C3O)[N+](=O)[O-])CO)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone (CAS 567-95-3), with molecular formula C15H6N4O13 and molecular weight 449.99 g/mol. IUPAC: 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione.
Chemical Property Profile of 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone
Property Insights of 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone
The XLogP value of 0.9983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone. The TPSA of 267.39 Ų indicates high polarity, suggesting 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone?
The CAS number of 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone is 567-95-3.
What is the molecular formula of 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone?
The molecular formula of 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone is C15H6N4O13.
What is the molecular weight of 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone?
The molecular weight of 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone is 449.99 g/mol.
Where can I buy 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone?
You can request a quote for 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.